N2-(4-azanylcyclohexyl)-9-cyclopentyl-N6-(naphthalen-1-ylmethyl)purine-2,6-diamine dihydrochloride

Systemtic Name: N2-(4-azanylcyclohexyl)-9-cyclopentyl-N6-(naphthalen-1-ylmethyl)purine-2,6-diamine dihydrochloride Openeye Name: N2-(4-aminocyclohexyl)-9-cyclopentyl-N6-(1-naphthylmethyl)purine-2,6-diamine dihydrochloride CAS Name: N2-(4-aminocyclohexyl)-9-cyclopentyl-N6-(1-naphthalenylmethyl)purine-2,6-diamine dihydrochloride IUPAC Name: 2-N-(4-aminocyclohexyl)-9-cyclopentyl-6-N-(naphthalen-1-ylmethyl)purine-2,6-diamine dihydrochloride Traditional Name: (4-aminocyclohexyl)-[9-cyclopentyl-6-(1-naphthylmethylamino)purin-2-yl]amine dihydrochloride Formula: C27H35Cl2N7 MolecularWeight: 528.5197

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C=NC3=C2N=C(N=C3NCC4=CC=CC5=CC=CC=C54)NC6CCC(CC6)N.Cl.Cl

Isomeric SMILES

C1CCC(C1)N2C=NC3=C2N=C(N=C3NCC4=CC=CC5=CC=CC=C54)NC6CCC(CC6)N.Cl.Cl

InChI

InChI=1S/C27H33N7.2ClH/c28-20-12-14-21(15-13-20)31-27-32-25(24-26(33-27)34(17-30-24)22-9-2-3-10-22)29-16-19-8-5-7-18-6-1-4-11-23(18)19;;/h1,4-8,11,17,20-22H,2-3,9-10,12-16,28H2,(H2,29,31,32,33);2*1H